3-Fluoro-4-[5-[[4-(2-fluoro-4-methylsulfonylanilino)-5-methyl-6-[[3-(2,2,2-trifluoroethyl)-8-oxa-10-azatricyclo[4.3.1.03,10]decan-4-yl]oxy]pyrimidin-2-yl]methyl]-6-[[8-(1-methylcyclopropyl)oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrimidin-4-yl]oxybenzenesulfinate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Fluoro-4-[5-[[4-(2-fluoro-4-methylsulfonylanilino)-5-methyl-6-[[3-(2,2,2-trifluoroethyl)-8-oxa-10-azatricyclo[4.3.1.03,10]decan-4-yl]oxy]pyrimidin-2-yl]methyl]-6-[[8-(1-methylcyclopropyl)oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrimidin-4-yl]oxybenzenesulfinate
• 英文别名: 3-fluoro-4-[5-[[4-(2-fluoro-4-methylsulfonylanilino)-5-methyl-6-[[3-(2,2,2-trifluoroethyl)-8-oxa-10-azatricyclo[4.3.1.03,10]decan-4-yl]oxy]pyrimidin-2-yl]methyl]-6-[[8-(1-methylcyclopropyl)oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyrimidin-4-yl]oxybenzenesulfinate
• 化学式: C45H47F5N7O10S2-
• 分子量: 1005.0
• InChiKey: IQGVXQWMIREHIU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  69
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  235
• 氢给体数：
  1
• 氢受体数：
  22